Destomycin A; 2S-Hydroxy, N-de-Me, N1-amidino 

AlkaPlorer ID: AK010230

Synonym: 1-N-Amidino-1-N-demethyl-2-hydroxydestomycin A 

IUPAC Name: 2-[3-amino-5-[6'-(1-amino-2-hydroxyethyl)-3',4',5',7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4-yl]oxy-2,4,6-trihydroxycyclohexyl]guanidine

Structure

SMILES: NC(N)=NC1C(O)C(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O

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InChI: InChI=1S/C20H37N5O14/c21-3(1-26)13-11(32)12(33)17(34)20(37-13)38-15-7(28)4(2-27)35-18(16(15)39-20)36-14-9(30)5(22)8(29)6(10(14)31)25-19(23)24/h3-18,26-34H,1-2,21-22H2,(H4,23,24,25)

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InChIKey: RUQQTRLNULIRCH-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 571.5370000000003

TPSA: 344.66

MolLogP: -9.24580000000001

Number of H-Donors: 13

Number of H-Acceptors: 17

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information